CID 3042847

5-thiazolemethanol, 2-methyl-, phenylcarbamate (ester), monohydrochloride

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

CC1=NC=C(S1)COC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)

InChIKey

HFZWUTJFHVZJDK-UHFFFAOYSA-N

Compound name

(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.06195 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.069226	154.2
[M+Na]+	271.051168	162.3
[M-H]-	247.054674	160.3
[M+NH4]+	266.095773	172.3
[M+K]+	287.025108	158.9
[M+H-H2O]+	231.059210	146.8
[M+HCOO]-	293.060151	174.4
[M+CH3COO]-	307.075801	191.0
[M+Na-2H]-	269.036616	156.5
[M]+	248.06140142	157.4
[M]-	248.06249858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe